#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae n SER 2 N 0.00 0.00 -3.97 1.08 3.41 -1.26 -5.14 113.62 107.74 3hae n SER 2 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3hae n SER 2 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3hae n SER 2 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hae s GLU 3 N -2.32 0.36 -0.37 4.33 -6.30 -1.26 -5.01 118.70 108.13 3hae s GLU 3 Ca 0.00 -0.62 -0.26 0.00 -2.50 0.00 0.00 54.97 51.59 3hae s GLU 3 Cb 0.00 0.13 0.01 0.00 0.00 0.00 0.00 34.13 34.28 3hae s GLU 3 CO 0.00 -0.06 0.91 -0.51 0.02 0.00 0.00 175.26 175.62 3hae s LEU 4 N -1.56 4.01 0.00 2.70 1.02 -1.25 -4.85 118.68 118.75 3hae s LEU 4 Ca -0.14 0.54 -0.30 0.00 0.02 0.00 0.00 54.13 54.25 3hae s LEU 4 Cb -0.08 -3.24 -0.03 0.00 0.02 0.00 0.00 46.19 42.86 3hae s LEU 4 CO -0.01 -0.85 0.98 -0.89 0.02 0.00 0.00 176.35 175.59 3hae s THR 5 N 3.45 4.86 0.04 5.49 2.01 0.12 -1.40 115.64 130.21 3hae s THR 5 Ca 0.37 2.06 0.04 0.00 0.31 0.00 0.00 61.69 64.48 3hae s THR 5 Cb -0.12 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 3hae s THR 5 CO 0.19 0.16 -0.13 -1.10 -0.69 0.00 0.00 174.62 173.05 3hae s GLN 6 N 0.99 0.88 0.30 4.92 -0.21 -1.26 -1.71 119.66 123.57 3hae s GLN 6 Ca 0.52 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.88 3hae s GLN 6 Cb -0.21 -0.87 -0.11 0.00 1.00 0.00 0.00 33.01 32.82 3hae s GLN 6 CO 0.28 0.21 1.49 -1.25 -2.12 0.00 0.00 175.29 173.91 3hae s PRO 7 N -1.11 4.19 0.15 2.91 0.04 -1.26 -4.77 135.00 135.16 3hae s PRO 7 Ca 0.01 2.45 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 3hae s PRO 7 Cb -0.08 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 3hae s PRO 7 CO 0.01 -0.50 1.48 -2.13 0.04 0.00 0.00 177.00 175.90 3hae n ARG 8 N 1.73 -0.42 -3.86 4.56 0.63 -1.26 -4.24 116.66 113.79 3hae n ARG 8 Ca 0.05 1.45 -0.10 0.00 -0.92 0.00 0.00 57.85 58.33 3hae n ARG 8 Cb 0.39 -2.13 -0.08 0.00 0.45 0.00 0.00 32.46 31.09 3hae n ARG 8 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3hae s SER 9 N -5.48 0.07 0.08 6.15 1.04 -1.26 -1.02 113.70 113.27 3hae s SER 9 Ca -0.12 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 55.92 3hae s SER 9 Cb 0.11 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3hae s SER 9 CO 0.60 -0.58 -0.11 0.68 0.98 0.00 0.00 173.24 174.81 3hae s VAL 10 N -2.79 0.94 0.02 5.02 -7.23 -0.67 -4.91 120.40 110.79 3hae s VAL 10 Ca -0.03 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 3hae s VAL 10 Cb -0.00 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 3hae s VAL 10 CO -0.05 -0.42 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.35 3hae s SER 11 N -2.09 0.23 0.15 4.85 1.04 -1.26 -1.84 113.70 114.77 3hae s SER 11 Ca 0.01 -0.47 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 3hae s SER 11 Cb -0.06 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 3hae s SER 11 CO 0.01 -0.28 0.05 -0.83 0.98 0.00 0.00 173.24 173.18 3hae s GLY 12 N -1.36 1.10 0.63 7.32 0.00 -1.04 -4.99 107.32 108.98 3hae s GLY 12 Ca -0.15 -1.53 -0.08 0.00 0.00 0.00 0.00 44.72 42.96 3hae s GLY 12 CO -0.01 -1.40 0.98 -0.56 0.00 0.00 0.00 173.10 172.11 3hae s SER 13 N -3.09 5.65 0.24 1.64 0.01 -1.26 -1.47 113.70 115.42 3hae s SER 13 Ca 0.26 0.96 -0.31 0.00 1.31 0.00 0.00 55.95 58.17 3hae s SER 13 Cb 0.07 -1.91 -0.11 0.00 0.21 0.00 0.00 66.02 64.28 3hae s SER 13 CO 0.04 -1.11 1.58 -2.84 0.41 0.00 0.00 173.24 171.31 3hae s PRO 14 N -5.13 4.18 0.00 12.44 0.02 -1.26 -2.83 135.00 142.42 3hae s PRO 14 Ca 0.55 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.05 3hae s PRO 14 Cb -0.11 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3hae s PRO 14 CO 0.48 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 3hae n GLY 15 N 2.85 1.66 3.83 0.52 0.00 -0.33 -4.95 105.19 108.76 3hae n GLY 15 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3hae n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hae s GLN 16 N -0.95 3.60 0.38 1.61 -0.21 -1.13 -3.16 119.66 119.80 3hae s GLN 16 Ca 0.00 1.04 -0.18 0.00 0.02 0.00 0.00 55.36 56.24 3hae s GLN 16 Cb 0.00 -2.08 -0.10 0.00 1.00 0.00 0.00 33.01 31.83 3hae s GLN 16 CO 0.00 -0.57 0.86 -1.12 -2.12 0.00 0.00 175.29 172.34 3hae s SER 17 N -3.08 6.87 0.02 5.90 0.01 -1.26 -1.80 113.70 120.36 3hae s SER 17 Ca 0.60 1.51 -0.03 0.00 1.31 0.00 0.00 55.95 59.35 3hae s SER 17 Cb -0.13 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 3hae s SER 17 CO 0.37 -0.29 0.04 0.68 0.41 0.00 0.00 173.24 174.44 3hae s VAL 18 N -2.10 0.12 -0.01 3.43 -7.23 -0.53 -4.95 120.40 109.13 3hae s VAL 18 Ca 0.59 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.78 3hae s VAL 18 Cb -0.10 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.29 3hae s VAL 18 CO 0.15 -0.54 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.48 3hae s THR 19 N -1.94 0.25 -0.14 5.32 2.01 -1.26 -1.10 115.64 118.79 3hae s THR 19 Ca -0.11 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.84 3hae s THR 19 Cb -0.06 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 72.20 3hae s THR 19 CO -0.02 0.10 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.16 3hae s ILE 20 N 0.30 2.05 0.22 1.82 1.01 0.12 -4.96 121.20 121.76 3hae s ILE 20 Ca -0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.65 3hae s ILE 20 Cb -0.06 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3hae s ILE 20 CO -0.01 0.55 0.40 -0.94 0.00 0.00 0.00 174.94 174.94 3hae s SER 21 N 0.83 6.37 -0.26 3.58 1.04 -1.26 0.16 113.70 124.16 3hae s SER 21 Ca -0.07 0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 3hae s SER 21 Cb -0.15 -2.00 0.12 0.00 0.10 0.00 0.00 66.02 64.09 3hae s SER 21 CO -0.02 -0.07 0.27 0.00 0.98 0.00 0.00 173.24 174.40 3hae s THR 23 N 2.35 3.36 0.00 0.00 -4.23 -0.69 -0.86 115.64 115.57 3hae s THR 23 Ca 0.09 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3hae s THR 23 Cb -0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3hae s THR 23 CO -0.25 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 3hae n GLY 24 N 2.32 5.40 0.00 3.99 0.00 -0.85 -0.70 105.19 115.34 3hae n GLY 24 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3hae n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hae n THR 25 N 0.00 0.00 0.79 2.61 -2.24 -1.26 -4.75 114.28 109.43 3hae n THR 25 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3hae n THR 25 Cb 0.00 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 68.74 3hae n THR 25 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hae n SER 26 N -0.87 0.16 0.06 3.42 3.41 -1.26 -0.92 113.62 117.62 3hae n SER 26 Ca 0.00 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3hae n SER 26 Cb 0.00 -0.56 0.49 0.00 -0.26 0.00 0.00 64.21 63.88 3hae n SER 26 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hae n ARG 27 N -1.66 0.16 0.00 4.33 0.63 -1.26 -2.11 116.66 116.75 3hae n ARG 27 Ca 0.06 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3hae n ARG 27 Cb 0.30 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.53 3hae n ARG 27 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3hae n ASP 28 N -1.96 0.00 -0.07 6.15 5.68 -0.59 -4.29 116.55 121.47 3hae n ASP 28 Ca 0.06 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.27 3hae n ASP 28 Cb 0.38 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.35 3hae n ASP 28 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3hae h VAL 29 N 0.00 0.94 0.00 2.12 2.07 -1.68 -1.61 116.25 118.09 3hae h VAL 29 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3hae h VAL 29 Cb 0.00 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3hae h VAL 29 CO 0.00 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.24 3hae n GLY 30 N -1.19 -1.65 0.14 2.17 0.00 -0.10 -3.65 105.19 100.92 3hae n GLY 30 Ca -0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 3hae n GLY 30 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hae h GLY 31 N 4.59 0.47 -0.91 -0.02 0.00 -0.82 -3.45 103.07 102.93 3hae h GLY 31 Ca 0.00 -0.82 -0.46 0.00 0.00 0.00 0.00 47.33 46.05 3hae h GLY 31 CO 0.00 0.73 -0.39 -1.72 0.00 0.00 0.00 176.54 175.16 3hae n TYR 32 N -4.20 0.05 -2.01 5.60 4.01 -0.68 -4.97 117.16 114.96 3hae n TYR 32 Ca -0.10 -2.19 -0.30 0.00 -0.16 0.00 0.00 57.90 55.15 3hae n TYR 32 Cb 0.68 0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.76 3hae n TYR 32 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hae n ASN 33 N -1.64 5.87 -3.20 7.72 3.02 -1.26 -4.80 115.26 120.97 3hae n ASN 33 Ca -0.04 -3.76 -0.23 0.00 -0.03 0.00 0.00 54.58 50.52 3hae n ASN 33 Cb 0.51 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 3hae n ASN 33 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hae n TYR 34 N -0.65 0.90 -3.97 3.10 4.01 -1.26 -4.27 117.16 115.02 3hae n TYR 34 Ca 0.48 -3.78 -0.29 0.00 -0.16 0.00 0.00 57.90 54.15 3hae n TYR 34 Cb 0.68 -0.42 -0.04 0.00 -0.31 0.00 0.00 39.34 39.25 3hae n TYR 34 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hae s VAL 35 N -2.08 5.13 -0.09 -0.72 1.01 -1.25 -1.78 120.40 120.62 3hae s VAL 35 Ca 0.39 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 3hae s VAL 35 Cb 0.23 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 33.08 3hae s VAL 35 CO -0.09 0.04 0.27 -0.44 0.00 0.00 0.00 175.10 174.88 3hae s SER 36 N -2.78 -0.25 0.09 3.32 0.01 -0.51 -0.13 113.70 113.45 3hae s SER 36 Ca 0.33 0.45 0.08 0.00 1.31 0.00 0.00 55.95 58.12 3hae s SER 36 Cb -0.12 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.58 3hae s SER 36 CO 0.27 -0.15 -0.15 0.26 0.41 0.00 0.00 173.24 173.87 3hae s TRP 37 N -0.11 2.61 0.10 2.43 0.52 0.13 -1.50 118.94 123.12 3hae s TRP 37 Ca -0.02 -0.22 0.06 0.00 0.02 0.00 0.00 56.10 55.93 3hae s TRP 37 Cb -0.03 -1.41 -0.03 0.00 -1.15 0.00 0.00 33.47 30.85 3hae s TRP 37 CO 0.01 0.36 -0.14 0.71 0.02 0.00 0.00 176.95 177.91 3hae s TYR 38 N -1.09 1.32 0.06 -1.98 2.02 0.47 0.45 117.35 118.59 3hae s TYR 38 Ca 0.18 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 3hae s TYR 38 Cb -0.11 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 3hae s TYR 38 CO 0.10 0.10 -0.21 -1.14 -1.57 0.00 0.00 175.55 172.83 3hae s GLN 39 N -2.21 1.30 -0.18 -0.62 0.74 0.40 -0.99 119.66 118.11 3hae s GLN 39 Ca 0.04 -1.02 -0.07 0.00 0.05 0.00 0.00 55.36 54.36 3hae s GLN 39 Cb -0.07 -1.47 0.08 0.00 1.10 0.00 0.00 33.01 32.65 3hae s GLN 39 CO 0.03 0.36 0.39 -1.14 -0.55 0.00 0.00 175.29 174.38 3hae s GLN 40 N -1.43 0.31 0.33 1.67 0.74 -0.01 0.15 119.66 121.42 3hae s GLN 40 Ca 0.07 0.92 -0.04 0.00 0.05 0.00 0.00 55.36 56.36 3hae s GLN 40 Cb -0.09 0.18 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 3hae s GLN 40 CO 0.03 -0.23 0.58 -1.01 -0.55 0.00 0.00 175.29 174.10 3hae s HIS 41 N 2.25 3.49 0.35 1.67 3.76 -1.26 -1.69 115.29 123.87 3hae s HIS 41 Ca -0.03 0.59 -0.29 0.00 -0.15 0.00 0.00 55.06 55.18 3hae s HIS 41 Cb -0.11 -2.07 -0.11 0.00 1.11 0.00 0.00 32.58 31.39 3hae s HIS 41 CO -0.12 0.11 1.52 -2.14 -0.85 0.00 0.00 174.74 173.25 3hae s PRO 42 N -3.88 4.11 -1.28 8.40 0.02 -1.26 -1.82 135.00 139.29 3hae s PRO 42 Ca 0.43 2.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.86 3hae s PRO 42 Cb -0.10 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.44 3hae s PRO 42 CO 0.33 -0.56 0.57 0.41 -0.33 0.00 0.00 177.00 177.42 3hae n GLY 43 N 0.95 -0.64 3.46 0.52 0.00 -1.26 -4.97 105.19 103.26 3hae n GLY 43 Ca 0.03 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 3hae n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hae s LYS 44 N -6.68 0.63 0.32 1.61 2.20 -0.75 -5.14 119.74 111.93 3hae s LYS 44 Ca 0.30 0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 56.47 3hae s LYS 44 Cb -0.13 0.24 -0.11 0.00 -1.51 0.00 0.00 37.83 36.33 3hae s LYS 44 CO 0.91 -0.10 1.49 0.00 -0.36 0.00 0.00 175.35 177.29 3hae s ALA 45 N 0.66 3.62 0.77 3.13 0.00 -1.26 -4.35 121.76 124.33 3hae s ALA 45 Ca -0.03 1.49 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 3hae s ALA 45 Cb -0.05 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 3hae s ALA 45 CO -0.04 -0.93 0.20 -2.30 0.00 0.00 0.00 175.76 172.69 3hae n PRO 46 N 1.33 0.12 -4.87 0.00 -0.02 -1.26 -4.72 135.00 125.58 3hae n PRO 46 Ca 0.04 0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.31 3hae n PRO 46 Cb 0.39 -1.58 -0.17 0.00 -0.02 0.00 0.00 33.50 32.13 3hae n PRO 46 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3hae s LYS 47 N -2.51 2.23 0.14 -0.52 2.20 0.12 -4.95 119.74 116.45 3hae s LYS 47 Ca 0.59 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 55.27 3hae s LYS 47 Cb -0.32 -1.77 -0.07 0.00 -1.51 0.00 0.00 37.83 34.15 3hae s LYS 47 CO 0.65 0.12 1.22 -1.17 -0.36 0.00 0.00 175.35 175.80 3hae s LEU 48 N 0.44 4.42 0.00 5.43 2.96 -1.26 -0.45 118.68 130.22 3hae s LEU 48 Ca -0.15 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 3hae s LEU 48 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3hae s LEU 48 CO 0.05 -0.43 0.00 2.30 -1.32 0.00 0.00 176.35 176.96 3hae n ILE 49 N 3.05 0.00 -4.26 6.68 -5.35 0.17 -4.87 119.36 114.78 3hae n ILE 49 Ca 0.06 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.37 3hae n ILE 49 Cb 0.45 0.13 -0.15 0.00 -1.74 0.00 0.00 39.64 38.33 3hae n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hae s ILE 50 N -1.42 0.57 0.09 7.28 -1.09 -0.88 -4.17 121.20 121.58 3hae s ILE 50 Ca 0.00 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 3hae s ILE 50 Cb 0.00 -0.48 -0.03 0.00 -1.58 0.00 0.00 42.46 40.36 3hae s ILE 50 CO 0.00 0.16 -0.12 -1.38 -1.23 0.00 0.00 174.94 172.38 3hae s HIS 51 N -0.11 1.12 -1.31 3.97 -3.43 0.08 0.21 115.29 115.81 3hae s HIS 51 Ca 0.02 -0.56 -0.03 0.00 -0.80 0.00 0.00 55.06 53.69 3hae s HIS 51 Cb -0.03 -0.62 0.01 0.00 -1.43 0.00 0.00 32.58 30.51 3hae s HIS 51 CO -0.00 0.03 0.86 -0.25 -2.00 0.00 0.00 174.74 173.38 3hae n ASP 52 N 0.89 -2.31 0.00 7.38 10.43 -0.31 -1.78 116.55 130.84 3hae n ASP 52 Ca -0.18 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.44 3hae n ASP 52 Cb 0.56 -4.40 0.00 0.00 1.84 0.00 0.00 41.12 39.12 3hae n ASP 52 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3hae n VAL 53 N -4.35 0.00 -1.12 2.53 0.31 0.82 -4.04 118.33 112.47 3hae n VAL 53 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3hae n VAL 53 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 3hae n VAL 53 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3hae n ILE 54 N 0.00 0.00 -3.56 2.52 -5.35 -1.21 -3.76 119.36 108.00 3hae n ILE 54 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 3hae n ILE 54 Cb 0.00 1.63 -0.10 0.00 -1.74 0.00 0.00 39.64 39.43 3hae n ILE 54 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hae s ILE 55 N 0.00 5.29 0.05 7.28 1.01 -0.73 -4.59 121.20 129.51 3hae s ILE 55 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 3hae s ILE 55 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 3hae s ILE 55 CO 0.00 0.27 0.91 -0.13 0.00 0.00 0.00 174.94 175.99 3hae s ARG 56 N 1.47 4.59 0.83 2.79 0.52 -1.26 -0.74 118.95 127.15 3hae s ARG 56 Ca 0.10 1.32 -0.11 0.00 -0.52 0.00 0.00 55.73 56.53 3hae s ARG 56 Cb -0.15 -3.41 0.10 0.00 0.52 0.00 0.00 34.95 32.01 3hae s ARG 56 CO 0.08 0.12 1.13 -1.25 0.02 0.00 0.00 175.30 175.40 3hae s PRO 57 N 0.41 1.68 0.51 3.54 0.04 -1.26 -4.95 135.00 134.96 3hae s PRO 57 Ca 0.46 1.41 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 3hae s PRO 57 Cb -0.22 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3hae s PRO 57 CO 0.27 -2.11 1.36 -1.13 0.04 0.00 0.00 177.00 175.42 3hae n SER 58 N -3.75 2.79 0.00 6.66 3.41 -1.26 -2.89 113.62 118.58 3hae n SER 58 Ca 0.11 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 3hae n SER 58 Cb 0.52 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 3hae n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hae n GLY 59 N 0.73 3.06 3.77 5.00 0.00 -1.26 -5.05 105.19 111.44 3hae n GLY 59 Ca 0.08 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 3hae n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 60 N -1.23 3.22 0.08 1.61 1.01 -1.14 -4.96 120.40 118.99 3hae s VAL 60 Ca 0.00 1.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.80 3hae s VAL 60 Cb 0.00 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3hae s VAL 60 CO 0.00 0.19 1.42 -2.84 0.00 0.00 0.00 175.10 173.87 3hae s PRO 61 N -1.91 4.30 0.00 2.72 0.02 -1.26 -4.91 135.00 133.95 3hae s PRO 61 Ca 0.51 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3hae s PRO 61 Cb -0.32 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 30.83 3hae s PRO 61 CO 0.42 -0.50 0.00 -3.47 -0.33 0.00 0.00 177.00 173.11 3hae n ASP 62 N 4.47 0.00 -1.42 2.53 -0.08 -1.26 -2.23 116.55 118.56 3hae n ASP 62 Ca 0.12 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.51 3hae n ASP 62 Cb 0.42 0.00 0.33 0.00 2.34 0.00 0.00 41.12 44.22 3hae n ASP 62 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3hae n ARG 63 N 0.00 3.02 -3.62 -0.67 1.85 -1.26 -4.61 116.66 111.37 3hae n ARG 63 Ca 0.00 -2.73 -0.38 0.00 -1.00 0.00 0.00 57.85 53.74 3hae n ARG 63 Cb 0.00 -1.66 -0.11 0.00 -1.05 0.00 0.00 32.46 29.64 3hae n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3hae s PHE 64 N -1.24 3.19 0.03 2.89 0.08 -0.95 -1.54 117.98 120.44 3hae s PHE 64 Ca 0.50 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 57.37 3hae s PHE 64 Cb 0.28 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 3hae s PHE 64 CO 0.31 -0.33 -0.22 -1.54 -0.10 0.00 0.00 175.22 173.34 3hae s SER 65 N 1.68 2.67 -0.05 1.36 1.04 -0.49 -4.89 113.70 115.02 3hae s SER 65 Ca 0.06 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 56.03 3hae s SER 65 Cb -0.16 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.71 3hae s SER 65 CO 0.08 0.20 -0.23 -0.83 0.98 0.00 0.00 173.24 173.45 3hae s GLY 66 N -1.09 1.19 0.00 7.32 0.00 -1.26 -0.20 107.32 113.28 3hae s GLY 66 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3hae s GLY 66 CO 0.01 -0.59 0.00 -1.14 0.00 0.00 0.00 173.10 171.39 3hae n SER 67 N 2.96 1.68 -3.63 1.64 3.41 0.68 -3.94 113.62 116.41 3hae n SER 67 Ca -0.17 -0.72 -0.06 0.00 -0.26 0.00 0.00 58.87 57.66 3hae n SER 67 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 3hae n SER 67 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3hae s LYS 68 N -1.16 0.26 -0.13 4.33 -2.85 -1.26 -2.76 119.74 116.16 3hae s LYS 68 Ca 0.00 0.22 -0.04 0.00 -1.00 0.00 0.00 55.97 55.15 3hae s LYS 68 Cb 0.00 0.13 0.06 0.00 -2.06 0.00 0.00 37.83 35.96 3hae s LYS 68 CO 0.00 -0.05 0.18 0.45 0.10 0.00 0.00 175.35 176.03 3hae s SER 69 N -0.27 1.04 1.84 0.03 0.15 0.38 -4.97 113.70 111.90 3hae s SER 69 Ca 0.05 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.81 3hae s SER 69 Cb -0.04 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 3hae s SER 69 CO -0.09 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3hae n GLY 70 N 5.32 3.48 1.51 9.45 0.00 -1.26 -2.88 105.19 120.80 3hae n GLY 70 Ca -0.05 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.94 3hae n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hae n ASN 71 N 6.82 4.46 -4.06 1.61 5.03 -1.26 -4.22 115.26 123.63 3hae n ASN 71 Ca 0.00 -2.60 -0.26 0.00 0.87 0.00 0.00 54.58 52.59 3hae n ASN 71 Cb 0.00 -0.60 -0.17 0.00 -1.02 0.00 0.00 39.78 37.99 3hae n ASN 71 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hae s THR 72 N -2.17 1.35 0.11 3.41 2.01 -1.14 -2.02 115.64 117.20 3hae s THR 72 Ca 0.43 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.84 3hae s THR 72 Cb 0.31 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 3hae s THR 72 CO 0.15 0.40 0.26 0.00 -0.69 0.00 0.00 174.62 174.75 3hae s ALA 73 N 0.65 3.97 -0.04 7.40 0.00 -0.04 -0.47 121.76 133.24 3hae s ALA 73 Ca -0.14 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 3hae s ALA 73 Cb -0.16 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.14 3hae s ALA 73 CO 0.04 0.66 0.12 -1.54 0.00 0.00 0.00 175.76 175.04 3hae s SER 74 N -2.89 -0.11 -0.15 0.00 1.04 -1.11 -0.20 113.70 110.28 3hae s SER 74 Ca 0.35 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.92 3hae s SER 74 Cb -0.12 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3hae s SER 74 CO 0.28 -0.07 0.06 -0.22 0.98 0.00 0.00 173.24 174.28 3hae s LEU 75 N -0.05 3.86 -0.06 2.42 2.96 0.12 -0.23 118.68 127.70 3hae s LEU 75 Ca -0.01 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3hae s LEU 75 Cb -0.01 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.73 3hae s LEU 75 CO 0.00 0.26 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.24 3hae s THR 76 N -0.13 1.36 -0.30 3.68 2.01 0.72 0.16 115.64 123.14 3hae s THR 76 Ca 0.07 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.43 3hae s THR 76 Cb -0.12 -1.20 0.07 0.00 0.01 0.00 0.00 72.50 71.26 3hae s THR 76 CO 0.01 0.40 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.70 3hae s ILE 77 N 0.32 2.60 0.60 1.82 1.01 -0.26 -1.40 121.20 125.90 3hae s ILE 77 Ca -0.10 -1.69 -0.03 0.00 0.00 0.00 0.00 60.65 58.84 3hae s ILE 77 Cb -0.14 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.77 3hae s ILE 77 CO 0.04 -0.21 0.86 -0.94 0.00 0.00 0.00 174.94 174.69 3hae s SER 78 N 1.20 5.23 -0.55 3.58 1.04 -0.59 -1.45 113.70 122.15 3hae s SER 78 Ca -0.03 0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.66 3hae s SER 78 Cb -0.20 -1.15 0.03 0.00 0.10 0.00 0.00 66.02 64.80 3hae s SER 78 CO -0.04 -1.24 0.11 0.61 0.98 0.00 0.00 173.24 173.66 3hae n GLY 79 N -2.55 -0.49 0.99 7.32 0.00 -1.19 -4.79 105.19 104.48 3hae n GLY 79 Ca 0.07 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3hae n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hae n LEU 80 N -2.85 -0.29 -4.22 0.99 7.94 -0.75 -4.31 117.00 113.51 3hae n LEU 80 Ca -0.02 0.33 -0.20 0.00 -1.11 0.00 0.00 56.01 55.01 3hae n LEU 80 Cb 0.52 -0.27 -0.12 0.00 0.53 0.00 0.00 43.42 44.08 3hae n LEU 80 CO 0.19 -0.80 -0.47 -1.10 -1.11 0.00 0.00 177.39 174.09 3hae s GLN 81 N -0.23 0.96 0.37 1.96 -0.21 -1.26 -1.18 119.66 120.06 3hae s GLN 81 Ca 0.20 -1.09 0.16 0.00 0.02 0.00 0.00 55.36 54.65 3hae s GLN 81 Cb -0.29 -1.03 1.04 0.00 1.00 0.00 0.00 33.01 33.74 3hae s GLN 81 CO 0.16 0.23 1.74 0.00 -2.12 0.00 0.00 175.29 175.30 3hae h ALA 82 N 4.04 2.08 0.00 6.09 0.00 -1.97 0.61 119.26 130.11 3hae h ALA 82 Ca -0.42 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hae h ALA 82 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hae h ALA 82 CO 0.42 -0.54 0.00 -0.85 0.00 0.00 0.00 179.25 178.28 3hae n GLU 83 N -4.76 0.56 0.00 0.00 0.28 -1.26 -3.36 120.64 112.09 3hae n GLU 83 Ca 0.27 0.01 0.14 0.00 -0.16 0.00 0.00 57.16 57.41 3hae n GLU 83 Cb 0.87 -1.50 0.64 0.00 1.43 0.00 0.00 31.44 32.88 3hae n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hae n ASP 84 N -1.21 0.00 -4.66 -1.84 8.00 0.21 -4.80 116.55 112.24 3hae n ASP 84 Ca 0.16 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.56 3hae n ASP 84 Cb 0.20 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 3hae n ASP 84 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hae s GLU 85 N -2.88 4.15 0.00 -1.24 2.02 -1.22 -4.84 118.70 114.69 3hae s GLU 85 Ca 0.18 2.57 0.00 0.00 0.02 0.00 0.00 54.97 57.73 3hae s GLU 85 Cb 0.19 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 30.30 3hae s GLU 85 CO 0.49 -0.94 0.00 0.00 0.02 0.00 0.00 175.26 174.84 3hae n ALA 86 N 7.41 0.00 -2.12 5.21 0.00 -1.02 -4.91 120.51 125.08 3hae n ALA 86 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 3hae n ALA 86 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 3hae n ALA 86 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hae s HIS 87 N -2.00 3.71 0.03 0.00 3.76 -0.68 -2.34 115.29 117.77 3hae s HIS 87 Ca 0.00 1.39 0.07 0.00 -0.15 0.00 0.00 55.06 56.38 3hae s HIS 87 Cb 0.00 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.05 3hae s HIS 87 CO 0.00 0.40 -0.19 0.71 -0.85 0.00 0.00 174.74 174.81 3hae s TYR 88 N -1.41 2.52 -0.05 1.40 2.02 -0.46 -0.83 117.35 120.53 3hae s TYR 88 Ca 0.40 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 3hae s TYR 88 Cb -0.18 -1.47 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 3hae s TYR 88 CO 0.22 0.22 0.00 0.71 -1.57 0.00 0.00 175.55 175.12 3hae s TYR 89 N -0.88 0.49 0.86 2.71 2.02 -0.16 0.07 117.35 122.47 3hae s TYR 89 Ca 0.14 -0.06 -0.10 0.00 -0.37 0.00 0.00 57.07 56.67 3hae s TYR 89 Cb -0.10 -0.63 0.17 0.00 -0.40 0.00 0.00 41.96 40.99 3hae s TYR 89 CO 0.04 -0.24 1.19 0.00 -1.57 0.00 0.00 175.55 174.97 3hae s TRP 91 N -3.59 -0.72 -0.03 0.00 -0.00 -0.56 -1.78 118.94 112.26 3hae s TRP 91 Ca 0.70 1.45 0.03 0.00 -0.00 0.00 0.00 56.10 58.29 3hae s TRP 91 Cb -0.05 0.43 0.00 0.00 -0.00 0.00 0.00 33.47 33.86 3hae s TRP 91 CO 0.49 -0.36 -0.10 0.45 -0.00 0.00 0.00 176.95 177.44 3hae s SER 92 N 1.39 1.30 0.02 5.86 0.15 -0.94 -1.42 113.70 120.06 3hae s SER 92 Ca -0.09 -0.20 -0.36 0.00 0.70 0.00 0.00 55.95 55.99 3hae s SER 92 Cb -0.04 -0.34 -0.15 0.00 -1.71 0.00 0.00 66.02 63.77 3hae s SER 92 CO -0.16 0.08 1.53 0.33 1.20 0.00 0.00 173.24 176.22 3hae n PHE 93 N 3.26 1.89 -2.11 3.44 7.35 -0.74 -3.37 117.46 127.19 3hae n PHE 93 Ca -0.18 0.46 -0.20 0.00 -0.76 0.00 0.00 57.45 56.77 3hae n PHE 93 Cb 0.54 -2.44 0.03 0.00 0.35 0.00 0.00 39.48 37.96 3hae n PHE 93 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hae n ALA 94 N 3.74 4.66 -0.02 3.13 0.00 -0.78 -4.59 120.51 126.65 3hae n ALA 94 Ca 0.20 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 50.00 3hae n ALA 94 Cb 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3hae n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hae n GLY 95 N -0.70 1.95 0.08 0.00 0.00 -1.26 -3.81 105.19 101.45 3hae n GLY 95 Ca 0.38 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.50 3hae n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hae n SER 96 N 3.70 0.99 -0.84 1.61 3.41 -1.26 -5.03 113.62 116.20 3hae n SER 96 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3hae n SER 96 Cb 0.00 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 3hae n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hae n TYR 97 N -1.13 -0.14 -4.35 7.33 0.18 -1.25 -5.18 117.16 112.63 3hae n TYR 97 Ca 0.04 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.64 3hae n TYR 97 Cb 0.28 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.14 3hae n TYR 97 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3hae s TYR 98 N -2.86 1.68 -0.09 -3.48 2.02 -1.26 -1.86 117.35 111.50 3hae s TYR 98 Ca 0.00 -0.69 -0.27 0.00 -0.37 0.00 0.00 57.07 55.74 3hae s TYR 98 Cb 0.00 -0.87 0.06 0.00 -0.40 0.00 0.00 41.96 40.75 3hae s TYR 98 CO 0.00 0.23 0.63 0.54 -1.57 0.00 0.00 175.55 175.38 3hae s VAL 99 N -3.11 0.01 0.12 0.71 0.11 -1.22 -4.95 120.40 112.08 3hae s VAL 99 Ca 0.24 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 3hae s VAL 99 Cb 0.02 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 3hae s VAL 99 CO 0.07 -0.03 0.12 -0.36 -3.33 0.00 0.00 175.10 171.57 3hae s PHE 100 N -0.84 3.19 0.76 1.54 0.08 -1.26 -2.22 117.98 119.23 3hae s PHE 100 Ca -0.09 0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.87 3hae s PHE 100 Cb -0.02 -1.57 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 3hae s PHE 100 CO 0.07 0.52 1.14 0.20 -0.10 0.00 0.00 175.22 177.05 3hae s GLY 101 N -2.76 1.96 0.00 4.36 0.00 -0.74 -3.86 107.32 106.28 3hae s GLY 101 Ca 0.30 0.56 0.14 0.00 0.00 0.00 0.00 44.72 45.72 3hae s GLY 101 CO 0.23 0.93 1.33 -1.30 0.00 0.00 0.00 173.10 174.29 3hae n THR 102 N -3.21 0.48 -0.01 0.90 -2.24 -0.49 -4.78 114.28 104.93 3hae n THR 102 Ca 0.11 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 3hae n THR 102 Cb 0.52 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3hae n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hae n GLY 103 N -0.14 -2.83 3.13 3.38 0.00 -1.26 -4.93 105.19 102.54 3hae n GLY 103 Ca 0.07 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 3hae n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hae s THR 104 N -3.62 1.50 -0.42 2.61 2.01 0.11 -4.56 115.64 113.27 3hae s THR 104 Ca 0.00 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 3hae s THR 104 Cb 0.00 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.22 3hae s THR 104 CO 0.00 0.43 1.33 -0.62 -0.69 0.00 0.00 174.62 175.07 3hae s ASP 105 N 0.18 6.44 -0.19 3.53 2.15 -0.19 -1.36 116.67 127.22 3hae s ASP 105 Ca -0.08 0.75 -0.06 0.00 0.43 0.00 0.00 52.55 53.59 3hae s ASP 105 Cb -0.13 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 3hae s ASP 105 CO 0.03 -1.36 0.04 -0.69 -0.17 0.00 0.00 175.17 173.02 3hae s VAL 106 N 5.10 4.43 0.01 1.11 1.01 -0.99 -1.66 120.40 129.42 3hae s VAL 106 Ca 0.57 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.45 3hae s VAL 106 Cb -0.12 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3hae s VAL 106 CO 0.32 0.44 -0.15 0.28 0.00 0.00 0.00 175.10 175.99 3hae s THR 107 N 0.70 1.16 -0.30 3.92 -1.32 -0.77 -2.44 115.64 116.59 3hae s THR 107 Ca 0.02 -0.82 -0.06 0.00 -1.21 0.00 0.00 61.69 59.62 3hae s THR 107 Cb -0.14 -1.01 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 3hae s THR 107 CO 0.02 0.18 0.06 -0.69 -2.21 0.00 0.00 174.62 171.98 3hae s VAL 108 N -0.58 3.73 0.93 5.08 1.01 -1.26 -2.51 120.40 126.80 3hae s VAL 108 Ca 0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 3hae s VAL 108 Cb -0.07 -2.98 0.15 0.00 0.00 0.00 0.00 36.38 33.49 3hae s VAL 108 CO 0.00 0.02 1.15 -0.76 0.00 0.00 0.00 175.10 175.51 3hae s LEU 109 N 1.44 1.97 -0.50 3.92 1.43 -0.54 -4.46 118.68 121.93 3hae s LEU 109 Ca 0.01 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 3hae s LEU 109 Cb -0.18 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.88 3hae s LEU 109 CO 0.01 -2.67 0.00 0.61 0.23 0.00 0.00 176.35 174.53 3hae n GLY 110 N -2.22 0.73 3.81 -3.19 0.00 -1.26 -4.49 105.19 98.57 3hae n GLY 110 Ca 0.07 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3hae n GLY 110 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hae s GLN 111 N -2.01 3.57 0.59 1.61 -2.07 -1.26 -5.07 119.66 115.02 3hae s GLN 111 Ca 0.00 1.21 -0.04 0.00 -1.82 0.00 0.00 55.36 54.71 3hae s GLN 111 Cb 0.00 -2.07 0.02 0.00 -1.09 0.00 0.00 33.01 29.87 3hae s GLN 111 CO 0.00 -0.61 0.88 -1.25 -1.32 0.00 0.00 175.29 172.99 3hae s PRO 112 N -3.81 2.72 -0.21 9.60 0.04 -1.26 -5.00 135.00 137.08 3hae s PRO 112 Ca 0.64 -0.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.17 3hae s PRO 112 Cb -0.15 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 3hae s PRO 112 CO 0.31 -0.77 2.21 1.17 0.04 0.00 0.00 177.00 179.95 3hae n LYS 113 N -2.57 1.94 -4.25 4.56 4.81 -1.26 -4.81 118.16 116.58 3hae n LYS 113 Ca 0.05 0.55 -0.34 0.00 -0.87 0.00 0.00 58.31 57.70 3hae n LYS 113 Cb 0.58 -3.16 -0.14 0.00 0.02 0.00 0.00 35.03 32.34 3hae n LYS 113 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hae s ALA 114 N 7.98 2.82 0.07 3.14 0.00 -1.22 -4.98 121.76 129.58 3hae s ALA 114 Ca 1.01 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 3hae s ALA 114 Cb -0.39 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.11 3hae s ALA 114 CO 0.37 -0.10 0.67 -0.80 0.00 0.00 0.00 175.76 175.90 3hae s ASN 115 N 0.91 7.16 0.22 0.00 0.01 -1.26 -1.47 114.94 120.51 3hae s ASN 115 Ca -0.01 1.38 -0.32 0.00 -0.71 0.00 0.00 52.86 53.20 3hae s ASN 115 Cb -0.15 -2.42 -0.12 0.00 0.41 0.00 0.00 41.25 38.97 3hae s ASN 115 CO 0.01 0.17 1.69 -0.81 -1.51 0.00 0.00 177.10 176.64 3hae n PRO 116 N 2.13 2.70 -3.29 -0.60 -0.04 -1.24 -4.77 135.00 129.89 3hae n PRO 116 Ca -0.07 0.97 -0.39 0.00 -0.04 0.00 0.00 63.50 63.97 3hae n PRO 116 Cb 0.50 -2.80 -0.07 0.00 -0.04 0.00 0.00 33.50 31.09 3hae n PRO 116 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hae s THR 117 N 0.93 5.13 -0.13 0.52 -4.23 -0.08 -4.92 115.64 112.86 3hae s THR 117 Ca 0.73 0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 62.10 3hae s THR 117 Cb -0.52 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.48 3hae s THR 117 CO 0.36 0.20 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.90 3hae s VAL 118 N 1.54 3.82 0.03 2.29 1.01 -1.26 -1.58 120.40 126.24 3hae s VAL 118 Ca 0.22 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.87 3hae s VAL 118 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3hae s VAL 118 CO 0.09 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.65 3hae s THR 119 N 0.06 1.41 -0.01 3.92 2.01 -0.49 -5.00 115.64 117.54 3hae s THR 119 Ca -0.01 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.00 3hae s THR 119 Cb -0.14 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.17 3hae s THR 119 CO 0.03 0.20 0.01 -0.22 -0.69 0.00 0.00 174.62 173.95 3hae s LEU 120 N -0.93 1.55 -0.05 4.42 2.96 -1.26 -0.57 118.68 124.80 3hae s LEU 120 Ca 0.06 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 3hae s LEU 120 Cb -0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.52 3hae s LEU 120 CO 0.01 -0.06 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.44 3hae s PHE 121 N 0.52 2.58 1.24 5.38 0.08 -0.93 -4.99 117.98 121.87 3hae s PHE 121 Ca -0.05 -0.31 -0.16 0.00 0.12 0.00 0.00 56.93 56.53 3hae s PHE 121 Cb -0.07 -1.60 0.31 0.00 -0.57 0.00 0.00 43.02 41.09 3hae s PHE 121 CO -0.01 0.07 1.00 -1.25 -0.10 0.00 0.00 175.22 174.93 3hae s PRO 122 N -0.60 -1.53 0.65 0.24 0.04 -1.26 -3.41 135.00 129.13 3hae s PRO 122 Ca 0.09 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.51 3hae s PRO 122 Cb -0.11 -1.51 -0.01 0.00 0.04 0.00 0.00 34.50 32.91 3hae s PRO 122 CO 0.01 -4.05 1.07 -2.14 0.04 0.00 0.00 177.00 171.93 3hae s PRO 123 N -4.74 3.00 0.94 0.56 0.02 -1.26 -4.78 135.00 128.74 3hae s PRO 123 Ca 0.68 1.17 -0.12 0.00 0.02 0.00 0.00 61.00 62.75 3hae s PRO 123 Cb -0.20 -1.99 0.15 0.00 0.02 0.00 0.00 34.50 32.48 3hae s PRO 123 CO 0.62 -1.06 1.12 0.45 -0.33 0.00 0.00 177.00 177.80 3hae s SER 124 N -3.07 3.25 -0.01 2.53 0.15 -1.26 -4.90 113.70 110.38 3hae s SER 124 Ca 0.62 1.03 -0.24 0.00 0.70 0.00 0.00 55.95 58.07 3hae s SER 124 Cb -0.16 -1.64 -0.16 0.00 -1.71 0.00 0.00 66.02 62.34 3hae s SER 124 CO 0.44 -2.72 1.13 0.28 1.20 0.00 0.00 173.24 173.57 3hae h SER 125 N -1.61 -0.27 0.54 5.45 0.02 -1.99 -2.74 113.55 112.94 3hae h SER 125 Ca -0.52 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.13 3hae h SER 125 Cb 1.33 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 3hae h SER 125 CO 0.61 0.15 -0.27 -0.08 -1.14 0.00 0.00 176.83 176.10 3hae h GLU 126 N -0.77 0.00 0.42 3.45 4.81 -2.00 -3.07 114.58 117.42 3hae h GLU 126 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3hae h GLU 126 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3hae h GLU 126 CO 0.05 0.27 -0.20 0.93 -0.73 0.00 0.00 179.01 179.34 3hae h GLU 127 N 0.00 -0.54 0.00 1.92 4.39 -1.88 -1.87 114.58 116.60 3hae h GLU 127 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3hae h GLU 127 Cb 0.62 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3hae h GLU 127 CO 0.04 -0.35 0.00 1.28 -1.16 0.00 0.00 179.01 178.81 3hae n LEU 128 N -5.32 0.00 -0.11 1.33 4.77 -1.03 -2.79 117.00 113.84 3hae n LEU 128 Ca -0.11 0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 3hae n LEU 128 Cb 0.24 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 3hae n LEU 128 CO 0.36 -0.09 -0.85 0.00 -1.33 0.00 0.00 177.39 175.49 3hae n GLN 129 N -1.14 0.58 0.00 3.23 6.02 -0.98 -3.57 117.38 121.52 3hae n GLN 129 Ca 0.08 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 3hae n GLN 129 Cb 0.07 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.67 3hae n GLN 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hae n ALA 130 N -3.66 1.18 -3.84 -1.58 0.00 -0.74 -4.82 120.51 107.05 3hae n ALA 130 Ca -0.40 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.79 3hae n ALA 130 Cb 0.77 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 3hae n ALA 130 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hae n ASN 131 N 0.60 -1.60 -3.65 0.00 2.85 -1.17 -4.95 115.26 107.34 3hae n ASN 131 Ca 0.00 -0.75 -0.05 0.00 -0.11 0.00 0.00 54.58 53.67 3hae n ASN 131 Cb 0.01 -0.91 -0.07 0.00 1.24 0.00 0.00 39.78 40.06 3hae n ASN 131 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3hae s LYS 132 N -6.21 0.46 -0.04 1.20 1.02 -1.14 -4.76 119.74 110.27 3hae s LYS 132 Ca 0.21 1.25 -0.05 0.00 0.02 0.00 0.00 55.97 57.39 3hae s LYS 132 Cb -0.12 0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 3hae s LYS 132 CO 0.57 -0.22 0.19 0.00 -0.92 0.00 0.00 175.35 174.97 3hae s ALA 133 N 2.70 3.90 -0.09 5.17 0.00 -0.28 -4.25 121.76 128.90 3hae s ALA 133 Ca -0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 3hae s ALA 133 Cb -0.12 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.08 3hae s ALA 133 CO -0.16 0.67 0.14 0.99 0.00 0.00 0.00 175.76 177.40 3hae s THR 134 N -1.21 -0.22 -0.01 0.00 2.01 -1.26 -0.49 115.64 114.46 3hae s THR 134 Ca 0.23 0.28 -0.15 0.00 0.31 0.00 0.00 61.69 62.36 3hae s THR 134 Cb -0.13 -0.32 -0.06 0.00 0.01 0.00 0.00 72.50 72.01 3hae s THR 134 CO 0.13 0.09 0.41 -0.76 -0.69 0.00 0.00 174.62 173.79 3hae s LEU 135 N 2.26 4.45 -0.03 4.42 1.02 0.89 -4.07 118.68 127.62 3hae s LEU 135 Ca 0.04 0.94 0.06 0.00 0.02 0.00 0.00 54.13 55.19 3hae s LEU 135 Cb -0.13 -2.59 -0.01 0.00 0.02 0.00 0.00 46.19 43.48 3hae s LEU 135 CO -0.06 0.29 -0.22 -0.69 0.02 0.00 0.00 176.35 175.69 3hae s VAL 136 N -0.88 1.74 -0.10 -1.59 1.01 -1.22 -1.38 120.40 117.99 3hae s VAL 136 Ca 0.24 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3hae s VAL 136 Cb -0.16 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.80 3hae s VAL 136 CO 0.13 0.49 0.04 0.00 0.00 0.00 0.00 175.10 175.76 3hae s LEU 138 N 2.05 2.73 -0.24 0.00 1.43 0.26 -0.26 118.68 124.66 3hae s LEU 138 Ca 0.04 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.20 3hae s LEU 138 Cb -0.13 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3hae s LEU 138 CO -0.06 -0.08 -0.08 -0.63 0.23 0.00 0.00 176.35 175.74 3hae s ILE 139 N 1.23 2.78 0.05 -0.59 1.01 0.58 -1.40 121.20 124.86 3hae s ILE 139 Ca -0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 3hae s ILE 139 Cb -0.16 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 3hae s ILE 139 CO -0.09 0.23 0.05 -0.94 0.00 0.00 0.00 174.94 174.19 3hae s SER 140 N 1.32 0.31 -0.47 3.58 1.04 -0.62 0.35 113.70 119.22 3hae s SER 140 Ca 0.00 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.56 3hae s SER 140 Cb -0.16 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3hae s SER 140 CO -0.05 -0.58 0.57 0.47 0.98 0.00 0.00 173.24 174.63 3hae n ASP 141 N 0.37 -7.41 -3.91 7.02 8.00 -0.31 -0.90 116.55 119.41 3hae n ASP 141 Ca -0.16 0.34 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 3hae n ASP 141 Cb 0.60 -5.00 -0.10 0.00 -0.02 0.00 0.00 41.12 36.60 3hae n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hae s PHE 142 N -2.61 0.14 -0.11 1.24 -0.71 -0.90 -3.63 117.98 111.39 3hae s PHE 142 Ca 0.17 -0.35 -0.09 0.00 -1.04 0.00 0.00 56.93 55.61 3hae s PHE 142 Cb -0.05 -0.11 0.03 0.00 -1.21 0.00 0.00 43.02 41.69 3hae s PHE 142 CO 0.70 -0.32 0.29 -0.47 -1.34 0.00 0.00 175.22 174.08 3hae s TYR 143 N -2.03 -0.34 0.74 3.49 5.04 -0.54 -1.41 117.35 122.30 3hae s TYR 143 Ca -0.10 0.82 -0.11 0.00 -2.44 0.00 0.00 57.07 55.24 3hae s TYR 143 Cb -0.04 0.11 0.04 0.00 0.35 0.00 0.00 41.96 42.41 3hae s TYR 143 CO -0.02 -0.18 1.08 -2.14 -1.34 0.00 0.00 175.55 172.95 3hae s PRO 144 N 0.41 2.55 -1.45 4.97 0.02 -1.26 -3.38 135.00 136.85 3hae s PRO 144 Ca -0.02 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.95 3hae s PRO 144 Cb -0.04 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 3hae s PRO 144 CO -0.02 -1.41 2.60 0.41 -0.33 0.00 0.00 177.00 178.25 3hae n GLY 145 N -1.57 4.07 2.82 0.52 0.00 -1.26 -4.79 105.19 104.97 3hae n GLY 145 Ca 0.08 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 3hae n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hae s ALA 146 N 2.77 0.26 0.03 4.61 0.00 -1.26 -4.80 121.76 123.38 3hae s ALA 146 Ca 0.59 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.73 3hae s ALA 146 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3hae s ALA 146 CO -0.06 -0.06 -0.06 0.14 0.00 0.00 0.00 175.76 175.73 3hae s VAL 147 N 0.90 0.35 0.10 0.00 -7.23 -1.26 -4.56 120.40 108.70 3hae s VAL 147 Ca -0.09 -0.98 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3hae s VAL 147 Cb -0.12 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 3hae s VAL 147 CO -0.02 -0.42 0.27 -0.89 -0.31 0.00 0.00 175.10 173.73 3hae s THR 148 N -1.38 5.32 0.04 5.32 2.01 -0.46 -4.97 115.64 121.53 3hae s THR 148 Ca -0.12 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3hae s THR 148 Cb -0.10 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 3hae s THR 148 CO -0.00 0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.17 3hae s VAL 149 N -1.60 0.99 0.06 3.82 1.01 -1.26 -1.88 120.40 121.54 3hae s VAL 149 Ca 0.36 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 3hae s VAL 149 Cb -0.12 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.40 3hae s VAL 149 CO 0.27 -0.09 0.66 0.00 0.00 0.00 0.00 175.10 175.94 3hae s ALA 150 N -0.97 -1.69 0.00 5.51 0.00 -0.35 -5.00 121.76 119.26 3hae s ALA 150 Ca -0.01 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 3hae s ALA 150 Cb -0.08 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 3hae s ALA 150 CO 0.01 -0.61 0.06 -1.58 0.00 0.00 0.00 175.76 173.65 3hae s TRP 151 N -2.73 0.10 0.00 0.00 0.52 -1.26 -1.77 118.94 113.79 3hae s TRP 151 Ca -0.03 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.88 3hae s TRP 151 Cb -0.01 -0.08 0.00 0.00 -1.15 0.00 0.00 33.47 32.23 3hae s TRP 151 CO -0.04 -0.20 0.00 1.63 0.02 0.00 0.00 176.95 178.36 3hae n LYS 152 N 1.84 0.00 -3.32 4.98 4.76 -0.88 -0.07 118.16 125.47 3hae n LYS 152 Ca -0.21 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.26 3hae n LYS 152 Cb 0.56 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.72 3hae n LYS 152 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hae s ALA 153 N -0.84 -2.72 -0.04 7.82 0.00 -0.74 -0.57 121.76 124.67 3hae s ALA 153 Ca 0.00 1.89 -0.21 0.00 0.00 0.00 0.00 51.96 53.64 3hae s ALA 153 Cb 0.00 -2.16 -0.32 0.00 0.00 0.00 0.00 23.12 20.65 3hae s ALA 153 CO 0.00 -1.15 0.90 -0.44 0.00 0.00 0.00 175.76 175.07 3hae h ASP 154 N 7.79 0.51 0.04 0.00 3.32 -1.99 -3.30 116.42 122.79 3hae h ASP 154 Ca -0.17 -0.95 -0.36 0.00 0.02 0.00 0.00 57.03 55.57 3hae h ASP 154 Cb 1.14 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 3hae h ASP 154 CO 0.07 1.43 -2.09 0.61 -1.72 0.00 0.00 179.24 177.54 3hae n GLY 155 N 1.68 -0.54 3.92 2.75 0.00 -1.26 -4.87 105.19 106.86 3hae n GLY 155 Ca -0.14 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 3hae n GLY 155 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hae s SER 156 N -6.95 6.21 -0.10 1.61 1.04 -1.24 -4.67 113.70 109.60 3hae s SER 156 Ca -0.30 0.72 -0.29 0.00 0.48 0.00 0.00 55.95 56.56 3hae s SER 156 Cb 0.09 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 3hae s SER 156 CO 0.63 -0.52 0.99 -2.16 0.98 0.00 0.00 173.24 173.16 3hae s PRO 157 N -4.61 4.43 -0.21 4.02 0.04 -1.26 -1.79 135.00 135.62 3hae s PRO 157 Ca 0.45 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 3hae s PRO 157 Cb -0.10 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 3hae s PRO 157 CO 0.42 -0.29 0.09 0.54 0.04 0.00 0.00 177.00 177.80 3hae s VAL 158 N 1.91 4.83 -0.15 -0.36 0.11 0.90 -4.76 120.40 122.89 3hae s VAL 158 Ca 0.48 -0.01 0.14 0.00 -2.93 0.00 0.00 61.98 59.66 3hae s VAL 158 Cb -0.18 -3.22 -0.19 0.00 -1.53 0.00 0.00 36.38 31.26 3hae s VAL 158 CO 0.18 0.40 0.06 0.29 -3.33 0.00 0.00 175.10 172.71 3hae n LYS 159 N 4.03 1.49 -1.53 1.54 5.02 -1.26 -4.46 118.16 122.98 3hae n LYS 159 Ca -0.16 -0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 55.87 3hae n LYS 159 Cb 0.52 -1.39 -0.11 0.00 -0.02 0.00 0.00 35.03 34.03 3hae n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hae n ALA 160 N -2.56 0.63 0.00 7.82 0.00 -1.26 -2.87 120.51 122.27 3hae n ALA 160 Ca -0.24 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.21 3hae n ALA 160 Cb 0.99 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3hae n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hae n GLY 161 N 6.26 0.89 3.63 0.00 0.00 -1.26 -4.83 105.19 109.88 3hae n GLY 161 Ca 0.53 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 3hae n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 162 N -2.00 4.01 -0.30 1.61 1.01 -1.14 -2.54 120.40 121.05 3hae s VAL 162 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.15 3hae s VAL 162 Cb 0.00 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.46 3hae s VAL 162 CO 0.00 -0.39 -0.01 -1.61 0.00 0.00 0.00 175.10 173.09 3hae s GLU 163 N 4.28 1.67 -0.18 2.72 0.41 0.12 -4.97 118.70 122.74 3hae s GLU 163 Ca 0.61 -1.58 -0.03 0.00 -0.41 0.00 0.00 54.97 53.55 3hae s GLU 163 Cb -0.20 -2.97 -0.02 0.00 -1.78 0.00 0.00 34.13 29.16 3hae s GLU 163 CO 0.25 -0.80 -0.05 0.99 -0.49 0.00 0.00 175.26 175.16 3hae s THR 164 N 1.05 3.60 0.93 3.63 2.01 -1.26 0.43 115.64 126.04 3hae s THR 164 Ca 0.03 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 3hae s THR 164 Cb -0.19 -2.60 0.15 0.00 0.01 0.00 0.00 72.50 69.87 3hae s THR 164 CO -0.08 0.46 1.09 0.42 -0.69 0.00 0.00 174.62 175.82 3hae s THR 165 N 0.86 2.51 0.61 -0.82 -4.23 0.20 -5.00 115.64 109.78 3hae s THR 165 Ca -0.01 0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 60.49 3hae s THR 165 Cb -0.15 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 3hae s THR 165 CO 0.01 -0.22 0.82 1.17 -0.54 0.00 0.00 174.62 175.86 3hae n LYS 166 N -4.07 0.71 -2.27 3.99 3.00 -1.26 -4.71 118.16 113.55 3hae n LYS 166 Ca 0.07 0.28 -0.42 0.00 -0.00 0.00 0.00 58.31 58.24 3hae n LYS 166 Cb 0.55 -2.02 -0.03 0.00 0.00 0.00 0.00 35.03 33.52 3hae n LYS 166 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3hae s PRO 167 N -2.63 4.38 -0.10 1.64 0.04 -1.26 -4.56 135.00 132.50 3hae s PRO 167 Ca 0.74 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.77 3hae s PRO 167 Cb -0.41 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 30.86 3hae s PRO 167 CO 0.49 -0.33 -0.19 -1.12 0.04 0.00 0.00 177.00 175.89 3hae s SER 168 N 0.91 2.65 0.04 6.66 0.01 -0.13 -4.94 113.70 118.90 3hae s SER 168 Ca 0.61 -0.48 -0.36 0.00 1.31 0.00 0.00 55.95 57.03 3hae s SER 168 Cb -0.34 -1.21 -0.15 0.00 0.21 0.00 0.00 66.02 64.52 3hae s SER 168 CO 0.31 0.09 1.53 0.29 0.41 0.00 0.00 173.24 175.87 3hae n LYS 169 N 3.83 1.58 -2.31 12.44 5.02 -1.26 -1.01 118.16 136.45 3hae n LYS 169 Ca -0.20 0.57 -0.25 0.00 -2.02 0.00 0.00 58.31 56.41 3hae n LYS 169 Cb 0.52 -2.28 0.08 0.00 -0.02 0.00 0.00 35.03 33.33 3hae n LYS 169 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hae s GLN 170 N 1.43 2.01 0.00 1.97 -0.21 -0.12 -4.88 119.66 119.86 3hae s GLN 170 Ca 0.85 -0.49 0.18 0.00 0.02 0.00 0.00 55.36 55.92 3hae s GLN 170 Cb -0.85 -2.21 0.91 0.00 1.00 0.00 0.00 33.01 31.85 3hae s GLN 170 CO 0.47 -1.31 1.54 -1.13 -2.12 0.00 0.00 175.29 172.74 3hae n SER 171 N -2.90 0.00 -1.48 5.90 3.41 -1.26 -1.19 113.62 116.10 3hae n SER 171 Ca 0.10 0.03 0.10 0.00 -0.26 0.00 0.00 58.87 58.83 3hae n SER 171 Cb 0.60 -0.28 0.34 0.00 -0.26 0.00 0.00 64.21 64.61 3hae n SER 171 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hae n ASN 172 N -1.28 4.53 0.00 4.04 6.94 -1.26 -4.96 115.26 123.27 3hae n ASN 172 Ca 0.09 -2.38 0.00 0.00 -0.02 0.00 0.00 54.58 52.26 3hae n ASN 172 Cb 0.14 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 3hae n ASN 172 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3hae n ASN 173 N 1.11 -0.45 -2.01 0.53 5.03 -0.33 -4.99 115.26 114.14 3hae n ASN 173 Ca 0.25 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.70 3hae n ASN 173 Cb 0.83 -0.63 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 3hae n ASN 173 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3hae n LYS 174 N -2.01 0.42 -4.17 3.52 5.02 -1.26 -4.85 118.16 114.83 3hae n LYS 174 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3hae n LYS 174 Cb 0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.92 3hae n LYS 174 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hae s TYR 175 N -0.31 0.94 0.04 2.13 1.51 -0.50 -0.94 117.35 120.23 3hae s TYR 175 Ca 0.00 -0.82 0.04 0.00 -1.01 0.00 0.00 57.07 55.28 3hae s TYR 175 Cb 0.00 -0.53 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 3hae s TYR 175 CO 0.00 -0.09 -0.13 0.00 -1.11 0.00 0.00 175.55 174.22 3hae s ALA 176 N -3.24 1.06 0.03 3.71 0.00 -0.18 -1.16 121.76 121.98 3hae s ALA 176 Ca 0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 3hae s ALA 176 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3hae s ALA 176 CO -0.03 0.18 -0.02 0.00 0.00 0.00 0.00 175.76 175.89 3hae s ALA 177 N -0.93 0.20 0.11 0.00 0.00 0.16 -0.96 121.76 120.35 3hae s ALA 177 Ca -0.00 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.31 3hae s ALA 177 Cb -0.08 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3hae s ALA 177 CO 0.01 -0.22 -0.20 -1.54 0.00 0.00 0.00 175.76 173.82 3hae s SER 178 N -1.83 2.49 -0.04 0.00 1.04 -1.26 -0.31 113.70 113.80 3hae s SER 178 Ca -0.10 -0.72 -0.02 0.00 0.48 0.00 0.00 55.95 55.59 3hae s SER 178 Cb -0.05 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 65.96 3hae s SER 178 CO -0.03 0.02 0.05 -0.55 0.98 0.00 0.00 173.24 173.72 3hae s SER 179 N -2.06 0.97 -0.26 7.02 0.15 0.65 -0.62 113.70 119.55 3hae s SER 179 Ca 0.08 0.07 -0.06 0.00 0.70 0.00 0.00 55.95 56.74 3hae s SER 179 Cb -0.09 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 3hae s SER 179 CO 0.05 -0.23 0.03 -0.31 1.20 0.00 0.00 173.24 173.97 3hae s TYR 180 N 1.99 3.07 -0.37 3.44 1.51 0.17 -1.65 117.35 125.50 3hae s TYR 180 Ca 0.03 -0.86 -0.11 0.00 -1.01 0.00 0.00 57.07 55.12 3hae s TYR 180 Cb -0.12 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.57 3hae s TYR 180 CO -0.03 -0.52 0.21 -1.17 -1.11 0.00 0.00 175.55 172.92 3hae s LEU 181 N 1.51 4.71 0.39 -1.29 2.96 -0.48 0.10 118.68 126.59 3hae s LEU 181 Ca 0.04 -1.00 -0.23 0.00 -0.22 0.00 0.00 54.13 52.72 3hae s LEU 181 Cb -0.16 -2.02 -0.10 0.00 0.50 0.00 0.00 46.19 44.41 3hae s LEU 181 CO 0.00 -0.39 0.98 -0.44 -1.32 0.00 0.00 176.35 175.19 3hae s SER 182 N 1.55 6.97 -0.22 3.68 0.01 -1.05 -0.08 113.70 124.57 3hae s SER 182 Ca 0.02 1.85 -0.21 0.00 1.31 0.00 0.00 55.95 58.92 3hae s SER 182 Cb -0.19 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.53 3hae s SER 182 CO 0.07 -0.33 0.60 -0.76 0.41 0.00 0.00 173.24 173.22 3hae s LEU 183 N -2.69 -0.28 0.36 2.44 1.43 0.36 -4.72 118.68 115.59 3hae s LEU 183 Ca 0.57 1.18 -0.28 0.00 -1.03 0.00 0.00 54.13 54.57 3hae s LEU 183 Cb -0.16 2.05 -0.10 0.00 0.03 0.00 0.00 46.19 48.01 3hae s LEU 183 CO 0.21 -0.22 1.36 0.42 0.23 0.00 0.00 176.35 178.35 3hae s THR 184 N 0.26 2.47 0.05 5.49 -4.23 -1.26 -1.12 115.64 117.30 3hae s THR 184 Ca -0.00 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3hae s THR 184 Cb -0.04 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.51 3hae s THR 184 CO 0.01 0.10 0.54 -2.65 -0.54 0.00 0.00 174.62 172.08 3hae n PRO 185 N 0.53 0.00 0.00 3.99 -0.01 -1.26 -1.35 135.00 136.91 3hae n PRO 185 Ca 0.01 0.08 -0.01 0.00 -0.01 0.00 0.00 63.50 63.57 3hae n PRO 185 Cb 0.41 -2.04 -0.00 0.00 -0.01 0.00 0.00 33.50 31.86 3hae n PRO 185 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3hae h GLU 186 N 0.00 -0.05 -0.21 -0.52 4.39 -1.99 -3.28 114.58 112.92 3hae h GLU 186 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 3hae h GLU 186 Cb 1.08 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 3hae h GLU 186 CO 0.00 -0.03 0.17 1.96 -1.16 0.00 0.00 179.01 179.95 3hae h GLN 187 N -0.39 0.00 -0.73 2.33 4.20 -1.57 -1.58 115.11 117.37 3hae h GLN 187 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3hae h GLN 187 Cb 0.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3hae h GLN 187 CO 0.01 0.00 0.31 2.35 -0.67 0.00 0.00 178.83 180.83 3hae h TRP 188 N 0.00 1.09 -0.00 2.96 -0.00 -1.67 -2.74 115.95 115.59 3hae h TRP 188 Ca 0.10 -0.07 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3hae h TRP 188 Cb 0.43 -0.33 0.00 0.00 -0.00 0.00 0.00 29.16 29.27 3hae h TRP 188 CO 0.00 0.83 -0.18 1.63 -0.00 0.00 0.00 178.44 180.72 3hae n LYS 189 N -4.37 0.40 0.00 2.65 4.76 -0.62 -4.50 118.16 116.49 3hae n LYS 189 Ca 0.06 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3hae n LYS 189 Cb 0.16 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3hae n LYS 189 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3hae n SER 190 N -1.17 0.00 -4.72 4.39 7.64 -1.03 -4.84 113.62 113.89 3hae n SER 190 Ca 0.11 0.43 -0.35 0.00 1.01 0.00 0.00 58.87 60.07 3hae n SER 190 Cb 0.31 -0.29 0.09 0.00 -1.01 0.00 0.00 64.21 63.30 3hae n SER 190 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hae s HIS 191 N -1.02 2.02 0.16 1.43 3.76 -1.25 -4.97 115.29 115.42 3hae s HIS 191 Ca 0.00 1.57 -0.05 0.00 -0.15 0.00 0.00 55.06 56.43 3hae s HIS 191 Cb 0.00 -3.56 0.02 0.00 1.11 0.00 0.00 32.58 30.15 3hae s HIS 191 CO 0.00 -2.76 1.43 0.00 -0.85 0.00 0.00 174.74 172.55 3hae h ARG 192 N -0.09 0.57 -2.36 1.40 3.08 -1.91 -3.46 114.38 111.62 3hae h ARG 192 Ca -0.49 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.06 3hae h ARG 192 Cb 1.31 0.07 -0.21 0.00 0.08 0.00 0.00 29.97 31.23 3hae h ARG 192 CO 0.50 1.04 -0.01 -1.54 -1.07 0.00 0.00 179.97 178.90 3hae s SER 193 N -6.98 -0.54 0.27 7.04 1.04 -1.26 -4.10 113.70 109.16 3hae s SER 193 Ca -0.08 0.81 0.10 0.00 0.48 0.00 0.00 55.95 57.26 3hae s SER 193 Cb 0.10 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 3hae s SER 193 CO 0.86 -0.39 -0.01 -0.31 0.98 0.00 0.00 173.24 174.38 3hae s TYR 194 N -0.51 2.68 -0.17 5.02 1.51 -1.11 -4.14 117.35 120.63 3hae s TYR 194 Ca -0.06 -0.23 -0.09 0.00 -1.01 0.00 0.00 57.07 55.68 3hae s TYR 194 Cb -0.03 -1.20 0.06 0.00 -0.11 0.00 0.00 41.96 40.69 3hae s TYR 194 CO 0.05 0.62 0.41 -1.12 -1.11 0.00 0.00 175.55 174.39 3hae s SER 195 N -3.67 -0.45 -0.69 2.29 0.01 0.26 -2.29 113.70 109.16 3hae s SER 195 Ca 0.32 0.90 -0.18 0.00 1.31 0.00 0.00 55.95 58.29 3hae s SER 195 Cb -0.06 0.87 0.12 0.00 0.21 0.00 0.00 66.02 67.16 3hae s SER 195 CO 0.20 -0.20 0.80 0.00 0.41 0.00 0.00 173.24 174.45 3hae s GLN 197 N 2.42 3.74 -0.21 0.00 -2.07 -0.73 -2.52 119.66 120.29 3hae s GLN 197 Ca 0.17 0.18 0.01 0.00 -1.82 0.00 0.00 55.36 53.89 3hae s GLN 197 Cb -0.18 -3.13 0.05 0.00 -1.09 0.00 0.00 33.01 28.65 3hae s GLN 197 CO 0.02 0.67 -0.09 0.08 -1.32 0.00 0.00 175.29 174.64 3hae s VAL 198 N -1.19 1.65 -0.10 3.63 1.01 -1.13 -1.21 120.40 123.06 3hae s VAL 198 Ca 0.25 -1.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 3hae s VAL 198 Cb -0.15 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3hae s VAL 198 CO 0.13 0.11 0.37 -0.89 0.00 0.00 0.00 175.10 174.83 3hae s THR 199 N 1.38 5.20 -0.10 3.92 2.01 -0.79 -2.91 115.64 124.36 3hae s THR 199 Ca -0.02 0.73 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 3hae s THR 199 Cb -0.17 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.69 3hae s THR 199 CO -0.08 0.44 0.05 -2.28 -0.69 0.00 0.00 174.62 172.07 3hae s HIS 200 N -0.05 0.38 -1.40 4.92 2.46 -0.13 -1.35 115.29 120.12 3hae s HIS 200 Ca 0.21 -0.13 -0.06 0.00 0.47 0.00 0.00 55.06 55.55 3hae s HIS 200 Cb -0.15 -0.69 0.03 0.00 -0.13 0.00 0.00 32.58 31.65 3hae s HIS 200 CO 0.08 -0.36 0.82 0.39 -2.47 0.00 0.00 174.74 173.21 3hae n GLU 201 N 5.22 -5.22 -3.46 2.88 -0.58 -1.26 -2.72 120.64 115.50 3hae n GLU 201 Ca -0.06 0.61 -0.16 0.00 -0.42 0.00 0.00 57.16 57.13 3hae n GLU 201 Cb 0.49 -5.31 0.01 0.00 -0.57 0.00 0.00 31.44 26.07 3hae n GLU 201 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hae n GLY 202 N -1.64 -1.21 3.35 0.62 0.00 -1.26 -5.02 105.19 100.04 3hae n GLY 202 Ca -0.16 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.41 3hae n GLY 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hae s ASN 203 N -3.12 -0.13 0.02 1.61 3.04 -1.10 -5.18 114.94 110.07 3hae s ASN 203 Ca 0.13 0.19 0.08 0.00 0.04 0.00 0.00 52.86 53.30 3hae s ASN 203 Cb -0.04 1.12 -0.02 0.00 -1.54 0.00 0.00 41.25 40.77 3hae s ASN 203 CO 0.83 -0.03 -0.25 -0.89 -3.04 0.00 0.00 177.10 173.71 3hae s THR 204 N 1.77 2.03 -0.07 -5.21 2.01 -1.26 -0.96 115.64 113.96 3hae s THR 204 Ca -0.03 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 60.72 3hae s THR 204 Cb -0.02 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.80 3hae s THR 204 CO -0.14 0.43 -0.01 0.54 -0.69 0.00 0.00 174.62 174.75 3hae s VAL 205 N -0.71 0.41 -0.05 3.82 0.11 -1.15 -5.04 120.40 117.79 3hae s VAL 205 Ca 0.11 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 3hae s VAL 205 Cb -0.10 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 3hae s VAL 205 CO 0.01 0.26 -0.07 -0.70 -3.33 0.00 0.00 175.10 171.26 3hae s GLU 206 N 1.81 2.69 -0.18 1.54 2.12 -1.26 -2.83 118.70 122.60 3hae s GLU 206 Ca 0.03 -0.59 -0.00 0.00 0.36 0.00 0.00 54.97 54.76 3hae s GLU 206 Cb -0.13 -2.56 0.01 0.00 0.26 0.00 0.00 34.13 31.71 3hae s GLU 206 CO -0.05 0.65 -0.15 0.15 -0.54 0.00 0.00 175.26 175.33 3hae s LYS 207 N -0.93 3.15 0.26 4.30 -0.14 -1.05 -4.98 119.74 120.35 3hae s LYS 207 Ca 0.13 -0.76 -0.11 0.00 -1.36 0.00 0.00 55.97 53.87 3hae s LYS 207 Cb -0.11 -2.69 -0.08 0.00 -1.68 0.00 0.00 37.83 33.27 3hae s LYS 207 CO 0.03 -0.13 0.60 0.99 -0.76 0.00 0.00 175.35 176.08 3hae s THR 208 N 1.18 4.86 -0.16 2.17 2.01 -1.26 -2.06 115.64 122.38 3hae s THR 208 Ca 0.02 0.61 -0.07 0.00 0.31 0.00 0.00 61.69 62.56 3hae s THR 208 Cb -0.14 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 68.82 3hae s THR 208 CO -0.06 -0.10 0.36 0.68 -0.69 0.00 0.00 174.62 174.80 3hae s VAL 209 N -1.86 -0.18 0.15 3.82 -7.23 -0.97 -5.01 120.40 109.12 3hae s VAL 209 Ca 0.49 0.14 -0.03 0.00 -1.81 0.00 0.00 61.98 60.77 3hae s VAL 209 Cb -0.11 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.23 3hae s VAL 209 CO 0.20 0.06 0.36 0.00 -0.31 0.00 0.00 175.10 175.41 3hae s ALA 210 N 1.69 3.83 -2.00 1.32 0.00 -1.26 -2.75 121.76 122.59 3hae s ALA 210 Ca -0.07 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.25 3hae s ALA 210 Cb -0.10 -2.05 0.23 0.00 0.00 0.00 0.00 23.12 21.20 3hae s ALA 210 CO -0.11 0.61 0.71 -0.35 0.00 0.00 0.00 175.76 176.62